NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 Q 4.2947 8.3029 119.1177 54.7840 30.7620 177.5424 *26 W 4.0027 8.0164 121.3922 61.6010 27.9580 179.8643 27 R 4.6248 8.0357 120.0836 58.6375 29.2019 179.0814 28 A 4.5382 7.8332 121.8073 54.3789 19.3283 179.4582 29 A 4.1333 7.8233 119.9465 53.9919 18.8095 179.2300 30 G 3.6997 7.9634 102.8648 46.6634 0.0000 175.0223 31 A 4.1298 7.6176 121.8995 54.1519 18.4846 179.7159 32 A 3.9354 8.3181 120.1931 55.5425 18.3173 179.8265 33 T 3.6802 7.3947 113.2584 66.6292 68.4875 176.7906 34 V 3.4790 7.5396 119.5351 65.8832 31.5686 177.3022 35 L 3.8600 7.7921 119.9018 58.2254 41.9050 178.3473 36 L 3.8471 8.2994 120.2359 58.5850 41.9694 179.0948 37 V 3.7066 7.7170 117.6798 66.1298 31.2643 178.1807 38 I 3.6848 7.5194 118.9897 64.3763 36.9525 178.5159 39 V 3.6590 8.0092 119.3013 65.8428 31.2386 177.9860 40 L 3.9915 8.4827 119.0505 57.7748 41.5004 179.5344 41 L 4.0163 7.9162 118.4271 57.8972 41.6610 179.3822 42 A 4.1866 8.5370 121.2516 55.0620 18.1912 179.8034 43 G 3.7372 8.8516 104.6986 48.2166 0.0000 175.8581 44 S 4.5020 8.6141 118.6779 61.4714 62.9678 176.2473 45 Y 4.3106 8.3614 121.8734 60.9403 38.5455 178.0576 46 L 4.0024 8.8783 119.9315 57.6756 41.6613 179.2517 47 A 3.9527 8.8671 121.4417 55.3653 18.3686 179.8492 48 V 3.5996 7.7071 117.8439 65.4631 31.3178 177.8951 49 L 3.8206 7.6363 118.7314 58.0899 41.9387 178.5581 50 A 4.2118 8.1267 120.1605 55.0862 18.6904 179.2147 51 E 3.9723 8.3952 117.4038 58.5178 29.7200 178.0485 52 R 4.0410 7.1787 116.8439 57.6943 30.5580 177.1436 53 G 3.7923 9.0469 109.3272 44.9338 0.0000 173.1470 54 A 4.4355 7.6922 123.3139 49.4448 19.0741 174.4831 55 P 4.3177 0.0000 0.0000 65.4405 31.6145 177.3445 56 G 3.9004 8.9497 111.8205 44.9846 0.0000 173.4540 57 A 3.9776 7.9446 123.1627 52.6385 18.7187 177.3124 58 Q 4.3013 8.2484 119.6978 56.2314 31.2580 176.3810 59 L 4.1989 7.3324 122.5665 54.1262 40.6179 176.6019 60 I 4.4389 7.2487 108.4123 60.2895 38.8196 175.9447 61 T 4.3283 7.2975 109.7160 59.4779 71.8300 173.9208 62 Y 4.2988 8.1113 122.3159 61.5557 38.1123 176.6242 63 P 4.3275 0.0000 0.0000 66.5090 31.4110 178.5417 64 R 4.2050 8.1029 113.9050 59.5583 29.3883 178.6170 65 A 4.2811 8.1876 121.5741 55.0560 18.2250 179.3443 66 L 4.6627 8.5491 120.7662 57.6215 42.1814 179.0483 67 W 4.4471 8.3531 128.1438 60.0469 30.6064 177.8295 68 W 3.9416 9.0826 129.1219 60.2709 30.1782 178.0060 69 S 3.0751 8.2697 114.2186 61.1413 62.3055 176.7276 70 V 3.3810 7.2891 122.1171 65.5197 31.3082 177.2341 71 E 3.3563 7.3358 118.9400 59.6709 29.1385 179.1593 72 T 3.6142 7.2757 115.0512 66.1598 68.1194 176.9504 73 A 3.9148 8.0990 123.2658 55.2337 18.3005 179.3875 74 T 3.4522 7.9465 106.2558 62.1926 68.7955 174.9980 75 T 3.3287 7.2028 110.6245 62.5294 67.9758 173.2722 76 V 3.2125 7.4719 123.8573 65.3109 31.6242 177.1688 77 G 3.7527 7.5034 102.1696 46.9190 0.0000 172.9298 78 Y 4.3011 8.1181 124.8813 60.3357 37.2358 177.8403 79 G 4.3129 8.8153 106.8329 45.2065 0.0000 174.7275 80 D 4.7026 8.1688 118.2985 55.6248 39.9467 176.4393 81 L 4.4702 7.2060 116.1686 53.6371 45.9576 174.2569 82 Y 4.6212 7.1049 117.5181 55.6017 39.9357 172.0669 83 P 4.5154 0.0000 0.0000 62.9472 32.1221 176.5448 84 V 4.3960 8.8472 111.5966 60.8171 33.4062 176.3864 85 T 4.5357 7.6793 110.9247 59.5979 72.1106 175.3346 86 L 3.7469 7.9999 122.8280 58.2419 42.1608 179.2572 87 W 4.5772 7.7953 118.5293 59.5080 28.9887 178.4244 88 G 3.7607 8.2422 105.8996 48.2491 0.0000 175.9400 89 R 4.0433 8.3347 120.9061 58.8349 29.9256 179.1514 90 C 4.2126 8.1651 116.7667 62.8913 28.1685 175.9899 91 V 3.7036 8.6077 119.9575 66.0809 30.9573 177.7499 92 A 4.3330 8.5573 120.5234 55.4499 18.3233 179.6408 93 V 3.5609 8.1173 116.8100 66.1509 31.4831 178.3161 94 V 3.5633 8.0683 117.9028 66.1530 31.3790 177.9891 95 V 3.5711 8.0855 118.1634 66.3209 31.1960 177.8234 96 M 3.9639 8.3177 118.5817 58.3923 31.7627 178.9725 97 V 3.5455 7.8179 118.0451 65.8020 31.7550 177.5352 98 A 4.1217 8.3600 121.1773 55.3210 18.1628 179.6850 99 G 3.7901 8.2901 105.4575 47.5368 0.0000 175.7623 100 I 3.7806 8.1459 123.3001 64.1950 37.1430 178.7003 101 T 3.8564 8.6405 116.8434 66.7805 68.3540 176.5542 102 S 4.0405 8.4557 117.2551 62.0854 62.9293 177.1811 103 F 4.1821 8.7833 120.5059 60.0988 38.5300 177.8161 104 G 3.7234 8.2559 105.7425 47.9568 0.0000 175.4431 105 L 3.9650 8.0121 121.9598 57.4501 41.9159 179.9249 106 V 3.7416 7.9288 120.2897 66.8553 31.2513 178.9616 107 T 3.9668 8.0135 114.1179 65.9126 68.4663 180.2358 108 A 4.2164 8.1420 123.9449 54.8092 18.3484 179.7217 109 A 3.9880 8.6172 122.2720 55.9365 18.3417 180.5674 110 L 4.0479 7.6971 118.8492 59.1342 40.9643 180.7421 111 A 4.4040 7.7168 118.9111 55.7418 18.7177 179.4803 112 T 4.0631 7.9642 116.9705 67.0314 68.3556 178.9472 *113 W 4.4140 8.1344 122.3896 56.3974 27.8182 179.1286 *114 F 4.3500 8.3781 124.6152 58.2134 38.8258 176.5726 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 25 Q 8.30 4.29 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.83 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 *26 W 8.02 4.00 0.00 2.58 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.04 4.62 0.00 1.91 1.84 0.00 3.22 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.26 0.00 28 A 7.83 4.54 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.82 4.13 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.96 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.62 4.13 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.32 3.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.39 3.68 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 34 V 7.54 3.48 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.90 0.00 0.00 35 L 7.79 3.86 0.00 1.78 1.72 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.30 3.85 0.00 1.69 1.70 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.72 3.71 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.96 0.00 0.00 38 I 7.52 3.68 2.04 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.63 0.90 0.00 0.00 39 V 8.01 3.66 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.97 0.00 0.00 40 L 8.48 3.99 0.00 1.87 1.73 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.92 4.02 0.00 1.87 1.73 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.54 4.19 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.85 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.61 4.50 0.00 4.21 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.36 4.31 0.00 3.08 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.88 4.00 0.00 2.04 1.81 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.87 3.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.71 3.60 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.69 0.00 0.00 49 L 7.64 3.82 0.00 1.44 1.71 0.83 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.13 4.21 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.40 3.97 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 52 R 7.18 4.04 0.00 1.75 1.81 0.00 3.04 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 53 G 9.05 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.69 4.44 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.32 0.00 2.03 2.03 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 56 G 8.95 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.94 3.98 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.25 4.30 0.00 1.80 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.55 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 59 L 7.33 4.20 0.00 1.34 1.24 0.63 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.25 4.44 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.75 0.85 0.00 0.00 61 T 7.30 4.33 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 62 Y 8.11 4.30 0.00 3.22 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.33 0.00 2.23 2.14 0.00 3.69 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 64 R 8.10 4.21 0.00 2.23 2.30 0.00 2.96 0.00 0.00 3.38 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 65 A 8.19 4.28 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.55 4.66 0.00 1.92 2.08 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 67 W 8.35 4.45 0.00 3.48 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 W 9.08 3.94 0.00 3.46 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.27 3.08 0.00 3.94 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.29 3.38 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.99 0.00 0.00 71 E 7.34 3.36 0.00 1.24 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.80 0.00 72 T 7.28 3.61 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 73 A 8.10 3.91 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 T 7.95 3.45 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 75 T 7.20 3.33 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 76 V 7.47 3.21 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.66 0.00 0.00 77 G 7.50 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.12 4.30 0.00 3.38 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.82 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.17 4.70 0.00 2.95 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.21 4.47 0.00 1.82 1.56 1.25 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.10 4.62 0.00 3.03 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.52 0.00 2.12 1.80 0.00 3.94 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 84 V 8.85 4.40 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.98 0.00 0.00 85 T 7.68 4.54 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 86 L 8.00 3.75 0.00 1.50 1.24 0.63 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 87 W 7.80 4.58 0.00 3.40 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 8.24 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.33 4.04 0.00 2.01 2.02 0.00 3.10 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 90 C 8.17 4.21 0.00 3.49 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.61 3.70 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 1.12 0.00 0.00 92 A 8.56 4.33 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.12 3.56 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.02 0.00 0.00 94 V 8.07 3.56 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.03 0.00 0.00 95 V 8.09 3.57 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.04 0.00 0.00 96 M 8.32 3.96 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.48 0.00 97 V 7.82 3.55 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.97 0.00 0.00 98 A 8.36 4.12 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.29 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.15 3.78 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.84 0.92 0.00 0.00 101 T 8.64 3.86 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 102 S 8.46 4.04 0.00 3.91 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.78 4.18 0.00 3.18 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.26 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.01 3.96 0.00 1.84 1.71 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 106 V 7.93 3.74 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.86 0.00 0.00 107 T 8.01 3.97 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 108 A 8.14 4.22 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.62 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.70 4.05 0.00 1.80 1.60 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.72 4.40 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.96 4.06 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *113 W 8.13 4.41 0.00 2.53 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *114 F 8.38 4.35 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.